Drug Information

Drug ID:  NPD9052
Drug Name:  Mannitol
Molecular Formula:  C6H14O6
Canonical SMILES:  OC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
Standard InCHI:  InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1
Standard InCHIKey:  FBPFZTCFMRRESA-KVTDHHQDSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9052

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
High Similarity 1.0 NPC293908
High Similarity 1.0 NPC192065
High Similarity 1.0 NPC86412
High Similarity 1.0 NPC325034
High Similarity 1.0 NPC66052
High Similarity 0.9062 NPC149070
High Similarity 0.9062 NPC187058
High Similarity 0.9062 NPC127074
High Similarity 0.9062 NPC197207
High Similarity 0.9062 NPC182541
High Similarity 0.8649 NPC266553
High Similarity 0.8649 NPC227707
High Similarity 0.8649 NPC88278
High Similarity 0.8649 NPC99573
High Similarity 0.8649 NPC111882
High Similarity 0.8649 NPC102981
Intermediate Similarity 0.8125 NPC33415
Intermediate Similarity 0.8125 NPC301586
Intermediate Similarity 0.8 NPC320240
Intermediate Similarity 0.8 NPC29721
Intermediate Similarity 0.8 NPC70756
Intermediate Similarity 0.7812 NPC320326
Intermediate Similarity 0.7805 NPC207656
Intermediate Similarity 0.7805 NPC107091
Intermediate Similarity 0.7619 NPC21209
Intermediate Similarity 0.7619 NPC255377
Intermediate Similarity 0.7619 NPC69445
Intermediate Similarity 0.7619 NPC289758
Intermediate Similarity 0.7619 NPC176017
Intermediate Similarity 0.7619 NPC199857
Intermediate Similarity 0.7619 NPC285364
Intermediate Similarity 0.7619 NPC73906
Intermediate Similarity 0.7619 NPC92246
Intermediate Similarity 0.7619 NPC165846
Intermediate Similarity 0.7442 NPC88638
Intermediate Similarity 0.7442 NPC321087
Intermediate Similarity 0.7442 NPC314613
Intermediate Similarity 0.7442 NPC252918
Intermediate Similarity 0.7442 NPC277475
Intermediate Similarity 0.7442 NPC230789
Intermediate Similarity 0.7273 NPC14144
Intermediate Similarity 0.7273 NPC247546
Intermediate Similarity 0.7273 NPC172086
Intermediate Similarity 0.7273 NPC112363
Intermediate Similarity 0.7188 NPC213764
Intermediate Similarity 0.7111 NPC282143
Intermediate Similarity 0.7111 NPC82512
Intermediate Similarity 0.7111 NPC61270
Intermediate Similarity 0.7111 NPC299781
Intermediate Similarity 0.7111 NPC42503
Intermediate Similarity 0.7111 NPC157193
Intermediate Similarity 0.7111 NPC325822
Intermediate Similarity 0.7059 NPC325345
Intermediate Similarity 0.7027 NPC227267
Remote Similarity 0.697 NPC560
Remote Similarity 0.6957 NPC323574
Remote Similarity 0.6905 NPC317182
Remote Similarity 0.6905 NPC291502
Remote Similarity 0.6905 NPC134252
Remote Similarity 0.6905 NPC320189
Remote Similarity 0.6905 NPC313565
Remote Similarity 0.6905 NPC259982
Remote Similarity 0.6905 NPC86191
Remote Similarity 0.6905 NPC228782
Remote Similarity 0.6905 NPC298699
Remote Similarity 0.6905 NPC213159
Remote Similarity 0.6875 NPC157340
Remote Similarity 0.6875 NPC199270
Remote Similarity 0.6857 NPC110884
Remote Similarity 0.6809 NPC329095
Remote Similarity 0.6809 NPC233726
Remote Similarity 0.6809 NPC326533
Remote Similarity 0.6809 NPC23134
Remote Similarity 0.6809 NPC124963
Remote Similarity 0.6667 NPC321102
Remote Similarity 0.6667 NPC322803
Remote Similarity 0.6667 NPC103672
Remote Similarity 0.6667 NPC278465
Remote Similarity 0.6667 NPC277878
Remote Similarity 0.6667 NPC88887
Remote Similarity 0.6667 NPC140389
Remote Similarity 0.6667 NPC320043
Remote Similarity 0.6667 NPC232554
Remote Similarity 0.6667 NPC275462
Remote Similarity 0.6667 NPC325153
Remote Similarity 0.6591 NPC62014
Remote Similarity 0.6571 NPC159845
Remote Similarity 0.6531 NPC317501
Remote Similarity 0.6531 NPC323361
Remote Similarity 0.6531 NPC145112
Remote Similarity 0.6531 NPC242073
Remote Similarity 0.6531 NPC314821
Remote Similarity 0.6531 NPC269166
Remote Similarity 0.6531 NPC157514
Remote Similarity 0.6531 NPC165198
Remote Similarity 0.6531 NPC107914
Remote Similarity 0.6531 NPC58629
Remote Similarity 0.6531 NPC246558
Remote Similarity 0.6531 NPC89145
Remote Similarity 0.6531 NPC67660
Remote Similarity 0.6531 NPC196612
Remote Similarity 0.6531 NPC317626
Remote Similarity 0.6531 NPC130683
Remote Similarity 0.6486 NPC267243
Remote Similarity 0.6486 NPC122962
Remote Similarity 0.6471 NPC252154
Remote Similarity 0.64 NPC303727
Remote Similarity 0.64 NPC327257
Remote Similarity 0.6364 NPC245688
Remote Similarity 0.6364 NPC114270
Remote Similarity 0.6327 NPC300235
Remote Similarity 0.6327 NPC476136
Remote Similarity 0.6327 NPC244869
Remote Similarity 0.6327 NPC476149
Remote Similarity 0.6316 NPC319034
Remote Similarity 0.6316 NPC193062
Remote Similarity 0.6316 NPC66124
Remote Similarity 0.6316 NPC72324
Remote Similarity 0.6316 NPC1748
Remote Similarity 0.625 NPC219266
Remote Similarity 0.625 NPC474914
Remote Similarity 0.625 NPC474392
Remote Similarity 0.6222 NPC38891
Remote Similarity 0.6222 NPC242655
Remote Similarity 0.6222 NPC270088
Remote Similarity 0.6154 NPC3547
Remote Similarity 0.6154 NPC148424
Remote Similarity 0.6111 NPC279895
Remote Similarity 0.6061 NPC39977
Remote Similarity 0.6061 NPC52403
Remote Similarity 0.6053 NPC321170
Remote Similarity 0.6053 NPC266566
Remote Similarity 0.6053 NPC31433
Remote Similarity 0.6047 NPC320331
Remote Similarity 0.6038 NPC220922
Remote Similarity 0.6038 NPC293692
Remote Similarity 0.6038 NPC219040
Remote Similarity 0.6038 NPC472025
Remote Similarity 0.6 NPC97967
Remote Similarity 0.5957 NPC8597
Remote Similarity 0.5926 NPC34877
Remote Similarity 0.5926 NPC290179
Remote Similarity 0.5926 NPC170172
Remote Similarity 0.5926 NPC182903
Remote Similarity 0.5926 NPC317023
Remote Similarity 0.5926 NPC320032
Remote Similarity 0.5926 NPC322855
Remote Similarity 0.5918 NPC329128
Remote Similarity 0.5918 NPC322158
Remote Similarity 0.5909 NPC35661
Remote Similarity 0.5897 NPC12231
Remote Similarity 0.5897 NPC152759
Remote Similarity 0.587 NPC240994
Remote Similarity 0.587 NPC85078
Remote Similarity 0.5833 NPC188428
Remote Similarity 0.5833 NPC318700
Remote Similarity 0.5833 NPC272307
Remote Similarity 0.5818 NPC174485
Remote Similarity 0.5818 NPC143326
Remote Similarity 0.5818 NPC323945
Remote Similarity 0.5814 NPC471282
Remote Similarity 0.58 NPC200772
Remote Similarity 0.5789 NPC225783
Remote Similarity 0.5789 NPC112242
Remote Similarity 0.5789 NPC163556
Remote Similarity 0.5789 NPC185041
Remote Similarity 0.5789 NPC147096
Remote Similarity 0.5789 NPC24506
Remote Similarity 0.5789 NPC236797
Remote Similarity 0.5769 NPC289979
Remote Similarity 0.5758 NPC299484
Remote Similarity 0.5741 NPC322148
Remote Similarity 0.5714 NPC472026
Remote Similarity 0.5714 NPC477763
Remote Similarity 0.5714 NPC477757
Remote Similarity 0.5714 NPC46254
Remote Similarity 0.5714 NPC155457
Remote Similarity 0.5714 NPC477750
Remote Similarity 0.5714 NPC477762
Remote Similarity 0.5714 NPC477753
Remote Similarity 0.5714 NPC477755
Remote Similarity 0.5714 NPC320296
Remote Similarity 0.5682 NPC152008
Remote Similarity 0.5641 NPC317060
Remote Similarity 0.5641 NPC126915
Remote Similarity 0.5636 NPC476209
Remote Similarity 0.5625 NPC236761
Remote Similarity 0.5614 NPC69669
Remote Similarity 0.5614 NPC22774
Remote Similarity 0.5614 NPC306462
Remote Similarity 0.5614 NPC2432
Remote Similarity 0.5614 NPC172622
Remote Similarity 0.5614 NPC150680
Remote Similarity 0.5614 NPC218150
Remote Similarity 0.561 NPC317203

Drug Structure

External Identifiers

TTD   DAP000874
DrugBank   DB00742
ChEMBL   CHEMBL689
IUPHAR/BPS  
PharmaGKB   PA450320
KEGG Drug   D00062
PubChem CID   6251
ChEBI   16899
CAS Number  69-65-8

Drug Properties

Molecular Weight  182.08
ALogP  -2.9402
MLogP  1.46
XLogP  -3.896
HDA  6
HBD  6
Rotatable Bonds  11
TPSA  121.38
RO5 Violation  1